CID 66050421

1-(bromomethyl)-1-ethylcyclohexane

Structural Information

Molecular Formula
C9H17Br
SMILES
CCC1(CCCCC1)CBr
InChI
InChI=1S/C9H17Br/c1-2-9(8-10)6-4-3-5-7-9/h2-8H2,1H3
InChIKey
AVSQBPUGRVOQMJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-ethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05136 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 140.8
[M+Na]+ 227.040578 149.5
[M-H]- 203.044084 146.3
[M+NH4]+ 222.085183 165.2
[M+K]+ 243.014518 139.5
[M+H-H2O]+ 187.048620 142.2
[M+HCOO]- 249.049561 158.8
[M+CH3COO]- 263.065211 182.8
[M+Na-2H]- 225.026026 148.0
[M]+ 204.05081142 155.7
[M]- 204.05190858 155.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe